man anadock (Commandes) - anadock VERSION 3.3_beta_20050823
NAME
anadock VERSION 3.3_beta_20050823
SYNOPSIS
anadock -f eiwit.pdb -ox cluster.pdb -od edocked.xvg -of efree.xvg -g anadock.log -[no]h -nice int -[no]xvgr -[no]free -[no]rms -cutoff real
DESCRIPTION
anadock analyses the results of an Autodock run and clusters the structures together, based on distance or RMSD. The docked energy and free energy estimates are analysed, and for each cluster the energy statistics are printed.
An alternative approach to this is to cluster the structures first (using g_cluster and then sort the clusters on either lowest energy or average energy.
FILES
-f eiwit.pdb Input Protein data bank file
-ox cluster.pdb Output Protein data bank file
-od edocked.xvg Output xvgr/xmgr file
-of efree.xvg Output xvgr/xmgr file
-g anadock.log Output Log file
OTHER OPTIONS
-[no]h no Print help info and quit
-nice int 0 Set the nicelevel
-[no]xvgr yes Add specific codes (legends etc.) in the output xvg files for the xmgrace program
-[no]free no Use Free energy estimate from autodock for sorting the classes
-[no]rms yes Cluster on RMS or distance
-cutoff real 0.2 Maximum RMSD/distance for belonging to the same cluster